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Cas Database |
| Name |
Ethyl nitrate |
EINECS | 210-903-3 |
| CAS No. | 625-58-1 | Density | 1.128g/cm3 |
| PSA | 55.05000 | LogP | 0.73780 |
| Solubility | N/A | Melting Point |
-94.59°C |
| Formula | C2H5 N O3 | Boiling Point | 86.2°C at 760 mmHg |
| Molecular Weight | 91.0666 | Flash Point | 33.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. Mutation data reported. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. A moderate explosion hazard when exposed to heat (explodes @ 185°F). To fight fire, use foam, CO2, dry chemical, water to blanket fire. Incompatible with Lewis acids. When heated to decomposition it emits toxic fumes of NOx. See also NITRATES and ESTERS. | Risk Codes | 2 |
| Molecular Structure |
|
Hazard Symbols | Flammable, dangerous, fire and explosion risk. |
| Synonyms |
Ethylnitrate;NSC 8826;Ethyl nitrate; |
Article Data | 60 |
Ethyl nitrate Synthetic route
| Conditions | Yield |
|---|---|
| With calcium(II) nitrate at 115℃; for 1h; Product distribution; oter time; | A n/a B 91% |
| With calcium(II) nitrate at 115℃; | A n/a B 91% |
| Conditions | Yield |
|---|---|
| With potassium fluoride; nitrylfluoride In acetonitrile at -30 - -20℃; | 89.4% |
| With nitronium tetrafluoborate | |
| With nitric acid |
- 84051-79-6
1,1,1-Trimethylolethane dinitrate
A
- 3143-02-0
3-hydroxymethyl-3-methyloxethane
B
- 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol
C
- 625-58-1
ethyl nitrate
D
- 84051-80-9
1,1,1-Trimethylolethane mononitrate
E
- 84051-81-0
3-methyl-3-(nitroxymethyl)oxetane
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol; water at 55℃; for 3.10833h; Product distribution; Rate constant; var. NaOH conc.; | A 13% B 0.7% C n/a D 24% E 66% F n/a |
| Conditions | Yield |
|---|---|
| With cis-nitrous acid |
| Conditions | Yield |
|---|---|
| With silver nitrate In ethanol at 20℃; Product distribution; Mechanism; var. salt conc.; | |
| With silver nitrate |
Ethyl nitrate Consensus Reports
Ethyl nitrate Specification
Ethyl nitrate has formula C2H5NO3. With the CAS NO.625-58-1, it is also called Nitric acid ethyl ester; Ethyl nitrate; 1-Nitrooxyethane; Nitric acid ethyl. It is a clear colorless liquid with a pleasant odor. It is used in organic synthesis and as an intermediate in the preparation of some drugs, dyes, and perfumes.
Physical properties about Ethyl nitrate are: (1)ACD/LogP: 1.482; (2)ACD/LogD (pH 5.5): 1.48; (3)ACD/LogD (pH 7.4): 1.48; (4)ACD/BCF (pH 5.5): 7.88; (5)ACD/BCF (pH 7.4): 7.88; (6)ACD/KOC (pH 5.5): 152.47; (7)ACD/KOC (pH 7.4): 152.47; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.389; (11)Molar Refractivity: 19.082 cm3; (12)Molar Volume: 80.69 cm3; (13)Polarizability: 7.565 10-24cm3; (14)Surface Tension: 30.701000213623 dyne/cm; (15)Density: 1.129 g/cm3; (16)Flash Point: 33.525 °C; (17)Enthalpy of Vaporization: 31.299 kJ/mol; (18)Boiling Point: 86.247 °C at 760 mmHg; (19)Vapour Pressure: 75.161003112793 mmHg at 25°C
Preparation of Ethyl nitrate: Ethyl nitrate has been prepared by bubbling gaseous nitryl fluoride through ethanol at −10 °C.[2] The reaction was subsequently studied in detail.
You can still convert the following datas into molecular structure:
(1)InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3;
(2)InChIKey=IDNUEBSJWINEMI-UHFFFAOYSA-N;
(3)SmilesO([N+](=O)[O-])CC;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 393, 1986. |
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